SCHEMBL9850396

SCHEMBL9850396

CCCCCCCCOc1ccc(-c2ccccc2)c([O])c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.58
PTPN1 P18031 1/20 0.57
HDAC8 Q9BY41 2/20 0.52
LTA4H P09960 1/20 0.51
SOAT1 P35610 1/20 0.50
PDK2 Q15119 1/20 0.48
PLA2G4B P0C869 1/20 0.48
RARB P10826 3/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5057429 0.86 PTPN1 (0.61) PTPN11PTPN1HDAC8LTA4HSOAT1
SCHEMBL7941538 0.84 PTPN11 (0.59) PTPN11PTPN1HDAC8LTA4HSOAT1
SCHEMBL17388694 0.84 PTPN11 (0.59) PTPN11PTPN1HDAC8LTA4HSOAT1
SCHEMBL15574397 0.84 PTPN11 (0.56) PTPN11PTPN1HDAC8LTA4HSOAT1
Formaldehyde SCHEMBL27947148 0.83 PTPN11 (0.59) PTPN11PTPN1HDAC8PDK2PLA2G4B
SCHEMBL17447398 0.82 PTPN11 (0.54) PTPN11PTPN1HDAC8LTA4HSOAT1
SCHEMBL9732638 0.82 LTA4H (0.54) PTPN11PTPN1LTA4HPLA2G4BRARB
SCHEMBL6940402 0.82 PTPN11 (0.81) PTPN11PTPN1HDAC8PLA2G4BRARB
SCHEMBL7755264 0.82 PTPN11 (0.81) PTPN11PTPN1HDAC8PLA2G4BRARB
SCHEMBL8610597 0.82 PTPN11 (0.81) PTPN11PTPN1HDAC8PLA2G4BRARB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409066-A2 Optically active compound for liquid crystal and its use MITSUBISHI RAYON COMPANY, LTD. (JP) 1991-01-23 EP disclosed